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Key Documents

W339318

Sigma-Aldrich

Butyl 2-methylbutyrate

≥97%, FG

Synonym(s):

N-butyl 2-methylbutyrate

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About This Item

Linear Formula:
CH3CH2CH(CH3)COOCH2CH2CH2CH3
CAS Number:
Molecular Weight:
158.24
FEMA Number:
3393
Beilstein/REAXYS Number:
1702551
EC Number:
Council of Europe no.:
10534
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.519
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

assay

≥97%

refractive index

n20/D 1.409 (lit.)

bp

173-176 °C/730 mmHg (lit.)

density

0.863 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

tropical; fruity; sweet

SMILES string

CCCCOC(=O)C(C)CC

InChI

1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3

InChI key

OTKQNSSMCDLVQV-UHFFFAOYSA-N

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pictograms

FlameEnvironment

signalword

Warning

hcodes

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

140.0 °F - closed cup

flash_point_c

60 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)


Certificates of Analysis (COA)

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